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Summary Geometry Related PDB entries

KHD

Summary

Name:	N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide
Formula:	C26 H23 N3 O3
Formal charge:	0
Formula weight:	425.479 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide
OpenEye OEToolkits	2.0.6	~{N}-[3-[2-azanyl-3-(4-phenoxyphenyl)pyridin-4-yl]oxyphenyl]propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4c(N)c(c1ccc(cc1)Oc2ccccc2)c(Oc3cc(NC(=O)CC)ccc3)cc4
InChI	InChI	1.03	InChI=1S/C26H23N3O3/c1-2-24(30)29-19-7-6-10-22(17-19)32-23-15-16-28-26(27)25(23)18-11-13-21(14-12-18)31-20-8-4-3-5-9-20/h3-17H,2H2,1H3,(H2,27,28)(H,29,30)
InChIKey	InChI	1.03	RTLWGNQEQNXZRG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC(=O)Nc1cccc(Oc2ccnc(N)c2c3ccc(Oc4ccccc4)cc3)c1
SMILES	CACTVS	3.385	CCC(=O)Nc1cccc(Oc2ccnc(N)c2c3ccc(Oc4ccccc4)cc3)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCC(=O)Nc1cccc(c1)Oc2ccnc(c2c3ccc(cc3)Oc4ccccc4)N
SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)Nc1cccc(c1)Oc2ccnc(c2c3ccc(cc3)Oc4ccccc4)N

218853

건을2024-04-24부터공개중

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